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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50083672'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083672
PNG
(18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)
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PubMed
12n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)


BindingDB Entry DOI: 10.7270/Q2XP7440
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083672
PNG
(18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 25n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)


BindingDB Entry DOI: 10.7270/Q2XP7440
More data for this
Ligand-Target Pair